3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

C11H20ClN3O2 — CID 75481374

IUPAC3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCl.NCCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H19N3O2.ClH/c12-7-3-4-8-14-9(15)11(13-10(14)16)5-1-2-6-11;/h1-8,12H2,(H,13,16);1H
InChIKeyPXOUSUCESQIECI-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.01
Rot. Bonds4

About 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (PubChem CID 75481374) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
PubChem CID75481374
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCl.NCCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H19N3O2.ClH/c12-7-3-4-8-14-9(15)11(13-10(14)16)5-1-2-6-11;/h1-8,12H2,(H,13,16);1H
InChIKeyPXOUSUCESQIECI-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 120649218

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The IUPAC name of 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (CID 75481374) is 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The canonical SMILES for 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is Cl.NCCCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The InChIKey is PXOUSUCESQIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c12-7-3-4-8-14-9(15)11(13-10(14)16)5-1-2-6-11;/h1-8,12H2,(H,13,16);1H.
What are the key properties of 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is sourced from PubChem (CID 75481374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).